SCHEMBL5407741

SCHEMBL5407741

c1cc2[nH]ncc2cc1NC1CC2CCC(C1)N2C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.64
ROCK1 Q13464 13/20 0.64
ARHGDIA P52565 4/20 0.64
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
APAF1 O14727 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CCR2 P41597 4/20 0.52
CYP3A4 P08684 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5415450 0.99 ROCK2 (0.63) ROCK2ROCK1ARHGDIAKDM4EMEN1
SCHEMBL5418009 0.98 ROCK2 (0.64) ROCK2ROCK1ARHGDIAKDM4EMEN1
SCHEMBL5414947 0.90 ROCK2 (0.61) ROCK2ROCK1ARHGDIACCR2CYP3A4
SCHEMBL910665 0.85 ROCK2 (0.62) ROCK2ROCK1ARHGDIAKDM4EMEN1
SCHEMBL5413381 0.85 ROCK2 (0.67) ROCK2ROCK1ARHGDIACCR2CYP3A4
SCHEMBL5417413 0.83 ROCK2 (0.67) ROCK2ROCK1ARHGDIAKDM4EMEN1
SCHEMBL5413532 0.83 KDM4E (0.76) ROCK2ROCK1KDM4EMEN1APAF1
SCHEMBL5412656 0.82 ROCK2 (0.73) ROCK2ROCK1ARHGDIACCR2CYP3A4
SCHEMBL5407772 0.82 ROCK2 (0.64) ROCK2ROCK1ARHGDIACCR2CYP3A4
SCHEMBL5640417 0.82 KDM4E (0.78) ROCK2ROCK1KDM4EMEN1APAF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885ARHGDIA 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.